Amazon cover image
Image from Amazon.com
Image from Coce

Understanding Molecular Simulation: From Algorithms to Applications

By: Contributor(s): Publication details: New York: Academic Press, 1996.Edition: 2nd edDescription: 638pISBN:
  • 9780122673511
Subject(s): DDC classification:
  • 539.60113 FRE/U
Contents:
1. Introduction Part I: Basics 2. Thermodynamics and Statistical Mechanics 3. Monte Carlo Simulations 4. Molecular Dynamics Simulations 5. Computer Experiments Part II: Ensembles 6. Monte Carlo Simulations in Various Ensembles 7. Molecular Dynamics in Various Ensembles Part III: Free -Energy Calculations 8. Free Energy Calculations 9. Free Energies of Solids 10. Free Energy of Chain Molecules Part IV: Advanced Techniques 11. Long-Ranged Interactions 12. Configurational Bias Monte Carlo 13. Accelerating Monte Carlo Sampling 14. Time-Scale-separation Problems in MD 15. Rare Events 16. Mesoscopic Fluid Models Part V: Appendices A: Lagrangian and Hamiltonian B: Non-Hamiltonian Dynamics C: Non-equilibrium Thermodynamics D: Smoothed Dissipative Particle Dynamics E: Committor for 1-D diffusive barrier crossing F: Linear Response Theory: examples G: Statistical Errors H: Integration Schemes I: Saving CPU Time J: Reference States K: Statistical Mechanics of the Gibbs "Ensemble" L: Overlapping Distribution for Polymers M: Some General Purpose Algorithms
Tags from this library: No tags from this library for this title. Log in to add tags.
Star ratings
    Average rating: 0.0 (0 votes)
Holdings
Cover image Item type Current library Home library Collection Shelving location Call number Materials specified Vol info URL Copy number Status Notes Date due Barcode Item holds Item hold queue priority Course reserves
General Books Science Library Science Library, Sikkim University General Book Section 539.60113 FRE/U (Browse shelf(Opens below)) Available 053447
Total holds: 0

1. Introduction Part I: Basics 2. Thermodynamics and Statistical Mechanics 3. Monte Carlo Simulations 4. Molecular Dynamics Simulations 5. Computer Experiments Part II: Ensembles 6. Monte Carlo Simulations in Various Ensembles 7. Molecular Dynamics in Various Ensembles Part III: Free -Energy Calculations 8. Free Energy Calculations 9. Free Energies of Solids 10. Free Energy of Chain Molecules Part IV: Advanced Techniques 11. Long-Ranged Interactions 12. Configurational Bias Monte Carlo 13. Accelerating Monte Carlo Sampling 14. Time-Scale-separation Problems in MD 15. Rare Events 16. Mesoscopic Fluid Models Part V: Appendices A: Lagrangian and Hamiltonian B: Non-Hamiltonian Dynamics C: Non-equilibrium Thermodynamics D: Smoothed Dissipative Particle Dynamics E: Committor for 1-D diffusive barrier crossing F: Linear Response Theory: examples G: Statistical Errors H: Integration Schemes I: Saving CPU Time J: Reference States K: Statistical Mechanics of the Gibbs "Ensemble" L: Overlapping Distribution for Polymers M: Some General Purpose Algorithms

There are no comments on this title.

to post a comment.
SIKKIM UNIVERSITY
University Portal | Contact Librarian | Library Portal